4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol

C25H25N3O2 — CID 135501762

IUPAC4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1O
InChIInChI=1S/C25H25N3O2/c1-30-24-16-18(10-11-23(24)29)17-26-28-14-12-27(13-15-28)25-21-8-4-2-6-19(21)20-7-3-5-9-22(20)25/h2-11,16-17,25,29H,12-15H2,1H3/b26-17+
InChIKeyOEBNMGHOOCNHIT-YZSQISJMSA-N
MW399.49 g/mol
LogP4.12
Rot. Bonds4

About 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol

4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol (PubChem CID 135501762) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol
PubChem CID135501762
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1O
InChIInChI=1S/C25H25N3O2/c1-30-24-16-18(10-11-23(24)29)17-26-28-14-12-27(13-15-28)25-21-8-4-2-6-19(21)20-7-3-5-9-22(20)25/h2-11,16-17,25,29H,12-15H2,1H3/b26-17+
InChIKeyOEBNMGHOOCNHIT-YZSQISJMSA-N
XLogP4.12
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}-2-ethoxyphenol
CID 135635824
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045
5-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol
CID 6905992
4-Benzhydryl-N-(1,3-benzodioxol-5-ylmethylene)-1-piperazinamine
CID 9593596
4-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-benzene-1,2-diol
CID 135630064
3-({[4-(9H-fluoren-9-yl)piperazin-1-yl]imino}methyl)phenol
CID 5350800
2-[(4-Benzyl-piperazin-1-ylimino)-methyl]-6-methoxy-phenol
CID 135576943
4-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-phenol
CID 135505981
2,6-Dimethoxy-4-(((4-(1-naphthylmethyl)-1-piperazinyl)imino)methyl)phenol
CID 135492293
(E)-N-(3,4-dimethoxybenzylidene)-4-(9H-fluoren-9-yl)piperazin-1-amine
CID 6887111
(E)-4-(9H-fluoren-9-yl)-N-(3,4,5-trimethoxybenzylidene)piperazin-1-amine
CID 6868113
2-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-6-methoxy-phenol
CID 135505971

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol (CID 135501762) is 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol is COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1O.
What is the InChIKey of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol?
The InChIKey is OEBNMGHOOCNHIT-YZSQISJMSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-30-24-16-18(10-11-23(24)29)17-26-28-14-12-27(13-15-28)25-21-8-4-2-6-19(21)20-7-3-5-9-22(20)25/h2-11,16-17,25,29H,12-15H2,1H3/b26-17+.
What are the key properties of 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol?
4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol has a molecular weight of 399.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 135501762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).